N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide

C15H14N4O — CID 168926334

IUPACN-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
SMILESCNC(=O)c1cc2cc(-c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C15H14N4O/c1-16-15(20)14-6-12-5-10(3-4-11(12)7-17-14)13-8-18-19(2)9-13/h3-9H,1-2H3,(H,16,20)
InChIKeyNDRYFJSCGMBLQV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide

N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide (PubChem CID 168926334) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
PubChem CID168926334
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
SMILESCNC(=O)c1cc2cc(-c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C15H14N4O/c1-16-15(20)14-6-12-5-10(3-4-11(12)7-17-14)13-8-18-19(2)9-13/h3-9H,1-2H3,(H,16,20)
InChIKeyNDRYFJSCGMBLQV-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pent-3-yn-2-one
CID 147954464
3-(hydroxymethyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166702449
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003
4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one
CID 145392220
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
6-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]isoquinolin-3-amine
CID 166954628
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide
CID 139362993
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide?
The IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide (CID 168926334) is N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide?
The canonical SMILES for N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide is CNC(=O)c1cc2cc(-c3cnn(C)c3)ccc2cn1.
What is the InChIKey of N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide?
The InChIKey is NDRYFJSCGMBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-15(20)14-6-12-5-10(3-4-11(12)7-17-14)13-8-18-19(2)9-13/h3-9H,1-2H3,(H,16,20).
What are the key properties of N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide?
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 168926334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).